snowball - Cube Documentation

• 2D Depiction
  • Molecule Annotation
  • Molecule Depiction
  • Molecule Highlighting
  • Molecule Similarity Depiction
  • Property Depiction
  • Protein-Ligand Visualization
  • Shape and Color Overlap Visualization
  • Visualizing 3D Information
• 2D Similarity
  • 2D Fingerprint
• 3D Similarity
  • Electrostatics
  • RMSD
  • Shape
• Cheminformatics
  • Bemis Murcko Scoring
  • Mol Title from String Field
  • Rename A Field
  • Atom-Bond Typing
  • Atropisomerism
  • Dipole Moment Calculation
  • InChI
  • Maximum Common Substructure Search
  • Molecular Complexity
  • Molecular Descriptor
  • Molecule Alignment
  • Molecule Annotation and Tagging
  • Molecule Filtering
  • Molecule Manipulation
  • Molecule Naming
  • Molecule Processing
  • Molecule Property Calculation
  • SMILES
  • Substructure Search
• Conformations
  • Conformer Manipulation
• Debugging
  • Count Records
  • Log Record Fields
• Examples
  • Index Generator
• Floe Report
  • Brood Report Cube
  • Gameplan Report Cube
  • Brood
• IO
  • Writers
• Lead Optimization
  • Brood
• Library Design
  • Apply ChEMBL Solubility Transformations
• Ligand Modeling
  • EON
  • ForceField
  • Freeform Conf
  • Freeform Conf Advanced
  • Freeform Solv
  • Hermite
  • Kriging
  • PB-Electrostatics
  • Quacpac
  • ROCS
• Ligand Preparation
  • Check for Partial Charges
  • Charging
  • OMEGA
  • Quacpac-prep
  • ROCS-prep
  • Szybki
  • Zap
• Logic
  • Chunk
  • Classification
  • Field Conversion
  • Field Manipulation
  • Hit Lists
  • Numeric Comparison
  • Random Selection
  • Record Manipulation
  • String Comparison
  • Switches
• MMDS
  • Data Load
  • Data Preparation
• Models
  • Sorting Records by Index
  • ShapeQuery
• Protein Ligand
  • Szybki
• SiteHopper
  • Prep
  • Search
• Spruce
  • Biomodeling
  • Format conversion
  • Structure Preparation
• Structure Based Design
  • Check Optimized Pose
  • Check clashes (Individual)
  • Check clashes (Series)
  • Dock Output Quality preference
  • BintScore
  • Brood
  • Chemgauss4
  • Dock
  • Posit
  • Szmap
• Surface
  • Invert Surface
  • Is Surface Open
  • Make Grid From Surface
  • Make Spherical Surface
  • Molecular Surface
  • Polar Surface Area
  • Rotate Surface
  • Smooth Surface
  • Split Surface By Atoms
  • Surface Area
  • Surface To Molecule Distance
  • Surface Volume
  • Transform Surface
  • Translate Surface
• Unclassified
  • 2D Fragment Picker
  • 2D Torsion Picker
  • Add UUID Cube
  • Assign design unit partial charges
  • Bound Ligand Entropy
  • Brood Fragment Selector
  • Build 2D BROOD Database
  • Combine EON Queries
  • Freeform Conf Restriction Energies
  • Generate Targets Mixin
  • MDL Query Editor
  • Macrocycle Filter Cube
  • Multistate pKaModel-based Ionization States Enumeration
  • Numeric Field To Constant Value Comparison
  • Read Structure Collection Mixin
  • Valence Screening Cube
• Utility
  • Add Boolean Field
  • Add Design Unit Field
  • Add Query Style
  • Check Design Unit
  • Convert Conformers to Mols
  • Convert Shape Query to Record
  • Dataset Reader Optional
  • Dataset Size Router
  • Design Unit Exception Handler
  • Exception Handler
  • Failure Report
  • Failure Report
  • Field Type Conversion Cube
  • Find Ligand
  • Find Protein
  • Find Receptor
  • Find ShapeQuery
  • Loop Database File Look-up
  • Molecule Counter
  • Named Collection Reader
  • Named Dataset Reader
  • Named File Reader
  • Pass Query molecules to top of output
  • Pass Query to top of output
  • Process Every N records
  • Process N records
  • Protein Preparation Issues Detector
  • Protein Preparation Report
  • Shard Reader Optional
  • Single File Reader
  • String Parameter to String Field
  • Success Counter
  • Success Counter
  • Success Counter Shard